Crystallography Open Database

Information card for entry 1548481

Preview

Coordinates	1548481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H31.5 Cr N O3 P2 S
Calculated formula	C42 H30 Cr N0.5 O3 P2 S
Title of publication	A chromium tricarbonyl complex featuring the 4,6-bis(diphenylphosphinomethyl)dibenzothiophene (PSPPh) ligand
Authors of publication	Mastalir, Matthias; Schweinzer, Clara; Weil, Matthias; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
Journal of publication	Monatshefte für Chemie
Year of publication	2016
Journal volume	147
Journal issue	7
Pages of publication	1183 - 1187
a	11.3922 ± 0.0007 Å
b	16.9725 ± 0.0011 Å
c	17.7886 ± 0.0011 Å
α	90°
β	94.059 ± 0.002°
γ	90°
Cell volume	3430.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210729 (current)	2018-09-10	cif/1/54/84/ Updating bibliography in entry 1548481.	1548481.cif
204349	2017-12-19	cif/ Adding structures of 1548481 via cif-deposit CGI script.	1548481.cif